5-bromo-4-chloro-2-(difluoromethyl)indazole

C8H4BrClF2N2 — CID 164860271

IUPAC5-bromo-4-chloro-2-(difluoromethyl)indazole
SMILESFC(F)n1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C8H4BrClF2N2/c9-5-1-2-6-4(7(5)10)3-14(13-6)8(11)12/h1-3,8H
InChIKeyMBTSLFTZJGKBAV-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.85
Rot. Bonds1

About 5-bromo-4-chloro-2-(difluoromethyl)indazole

5-bromo-4-chloro-2-(difluoromethyl)indazole (PubChem CID 164860271) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(difluoromethyl)indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(difluoromethyl)indazole
PubChem CID164860271
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name5-bromo-4-chloro-2-(difluoromethyl)indazole
SMILESFC(F)n1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C8H4BrClF2N2/c9-5-1-2-6-4(7(5)10)3-14(13-6)8(11)12/h1-3,8H
InChIKeyMBTSLFTZJGKBAV-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(difluoromethyl)indazole?
The IUPAC name of 5-bromo-4-chloro-2-(difluoromethyl)indazole (CID 164860271) is 5-bromo-4-chloro-2-(difluoromethyl)indazole.
What is the SMILES notation for 5-bromo-4-chloro-2-(difluoromethyl)indazole?
The canonical SMILES for 5-bromo-4-chloro-2-(difluoromethyl)indazole is FC(F)n1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 5-bromo-4-chloro-2-(difluoromethyl)indazole?
The InChIKey is MBTSLFTZJGKBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-5-1-2-6-4(7(5)10)3-14(13-6)8(11)12/h1-3,8H.
What are the key properties of 5-bromo-4-chloro-2-(difluoromethyl)indazole?
5-bromo-4-chloro-2-(difluoromethyl)indazole has a molecular weight of 281.49 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(difluoromethyl)indazole is sourced from PubChem (CID 164860271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).